Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC(=O)C(=O)[C@H](COCC1=CC=CC=C1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1=C(N)C=CC(Br)=C1

InChIKey

InChIKey=FWXVRSMPICJRSR-UIOOFZCWSA-N

Formula

C31H39BrN4O7

Mass

659.578

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-aminobenzamide - Benzylether - Aniline or substituted anilines - Benzoyl - Halobenzene - Bromobenzene - Fatty acyl - Aryl bromide - N-acyl-amine - Aryl halide - Fatty amide - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - Carbonyl group - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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